Geometry & MOs

Info

ID:	407010
PubChem CID:	135079107
Reduced:	ClNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	298.02046
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	3.21
IP(EA), eV:	-8.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)prop-2-enyl propan-2-yl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=NC1=CC=C(C=C1)OC)C#CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations